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PDB: 60 件

1T7J
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crystal structure of inhibitor amprenavir in complex with a multi-drug resistant variant of HIV-1 protease (L63P/V82T/I84V)
分子名称: ACETATE ION, Pol Polyprotein, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者King, N.M, Prabu-Jeyabalan, M, Nalivaika, E.A, Wigerinck, P.B.T.P, De Bethune, M.-P, Schiffer, C.A.
登録日2004-05-10
公開日2005-05-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor
J.Med.Chem., 48, 2005
3EL5
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BU of 3el5 by Molmil
Crystal structure of nelfinavir (NFV) complexed with a multidrug variant (ACT) (V82T/I84V) of HIV-1 protease
分子名称: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, ACETATE ION, Protease
著者King, N, Prabu-Jeyabalan, M, Schiffer, C.
登録日2008-09-20
公開日2009-09-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3MLG
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2ouf-2x, a designed knotted protein
分子名称: 2X chimera of Helicobacter pylori protein HP0242
著者King, N.P, Sawaya, M.R, Jacobitz, A.W, Yeates, T.O.
登録日2010-04-16
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure and folding of a designed knotted protein.
Proc.Natl.Acad.Sci.USA, 107, 2010
3MLI
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2ouf-ds, a disulfide-linked dimer of Helicobacter pylori protein HP0242
分子名称: CALCIUM ION, Putative uncharacterized protein
著者King, N.P, Sawaya, M.R, Jacobitz, A.W, Yeates, T.O.
登録日2010-04-16
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure and folding of a designed knotted protein.
Proc.Natl.Acad.Sci.USA, 107, 2010
1T7I
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The structural and thermodynamic basis for the binding of TMC114, a next-generation HIV-1 protease inhibitor.
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, PHOSPHATE ION, ...
著者King, N.M, Prabu-Jeyabalan, M, Nalivaika, E.A, Wigerinck, P.B.T.P, De Bethune, M.-P, Schiffer, C.A.
登録日2004-05-10
公開日2005-05-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor
J.Med.Chem., 48, 2005
1T3R
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HIV protease wild-type in complex with TMC114 inhibitor
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, PHOSPHATE ION, protease RETROPEPSIN
著者King, N.M, Prabu-Jeyabalan, M, Nalivaika, E.A, Wigernick, P.B, de Bethune, M.P, Schiffer, C.A.
登録日2004-04-27
公開日2005-05-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor
J.Med.Chem., 48, 2005
7ZQ8
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BU of 7zq8 by Molmil
VelcroVax tandem HBcAg with SUMO-Affimer inserted at MIR (T=4 VLP)
分子名称: VelcroVax tandem HBcAg with SUMO-Affimer inserted at MIR
著者Kingston, N.J, Grehan, K, Snowden, J.S, Alzahrani, J, Ranson, N.A, Rowlands, D.J, Stonehouse, N.J.
登録日2022-04-29
公開日2023-01-18
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献VelcroVax: a "Bolt-On" Vaccine Platform for Glycoprotein Display.
Msphere, 8, 2023
7ZQA
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BU of 7zqa by Molmil
VelcroVax tandem HBcAg with SUMO-Affimer inserted at MIR (T=3* VLP)
分子名称: VelcroVax tandem HBcAg with SUMO-Affimer inserted at MIR
著者Kingston, N.J, Grehan, K, Snowden, J.S, Alzahrani, J, Ranson, N.A, Rowlands, D.J, Stonehouse, N.J.
登録日2022-04-29
公開日2023-01-18
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献VelcroVax: a "Bolt-On" Vaccine Platform for Glycoprotein Display.
Msphere, 8, 2023
8C6D
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BU of 8c6d by Molmil
Production of antigenically stable enterovirus A71 virus-like particles in Pichia pastoris as a vaccine candidate.
分子名称: (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol, Genome polyprotein, Genome polyprotein (Fragment)
著者Kingston, N.J, Snowden, J.S, Stonehouse, N.J, Rowlands, D.J, Hogle, J.M.
登録日2023-01-11
公開日2023-02-22
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Production of antigenically stable enterovirus A71 virus-like particles in Pichia pastoris as a vaccine candidate.
Biorxiv, 2023
3EL4
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Crystal structure of inhibitor saquinavir (SQV) complexed with the multidrug HIV-1 protease variant L63P/V82T/I84V
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETATE ION, Protease
著者Prabu-Jeyabalan, M, King, N, Schiffer, C.
登録日2008-09-19
公開日2009-09-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3EL9
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BU of 3el9 by Molmil
Crystal structure of atazanavir (ATV) in complex with a multidrug HIV-1 protease (V82T/I84V)
分子名称: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ...
著者Prabu-Jeyabalan, M, King, N, Schiffer, C.
登録日2008-09-21
公開日2009-09-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3EKW
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BU of 3ekw by Molmil
Crystal structure of the inhibitor Atazanavir (ATV) in complex with a multi-drug resistance HIV-1 protease variant (L10I/G48V/I54V/V64I/V82A) Refer: FLAP+ in citation.
分子名称: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, PHOSPHATE ION, ...
著者Prabu-Jeyabalan, M, King, N.M, Bandaranayake, R.M.
登録日2008-09-19
公開日2009-09-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3EM4
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BU of 3em4 by Molmil
Crystal structure of atazanavir (ATV) in complex with I50L/A71V drug-resistant HIV-1 protease
分子名称: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, PHOSPHATE ION, ...
著者Prabu-Jeyabalan, M, King, N, Royer, C, Schiffer, C.
登録日2008-09-23
公開日2009-09-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Kinetic and Structural studies on atazanavir-specific I50L drug-resistant HIV-1 protease mutant
To be Published
5VL4
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BU of 5vl4 by Molmil
Accidental minimum contact crystal lattice formed by a redesigned protein oligomer
分子名称: T33-53H-B
著者Cannon, K.A, Cascio, D, Sawaya, M.R, Park, R, Boyken, S, King, N, Yeates, T.
登録日2017-04-24
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Design and structure of two new protein cages illustrate successes and ongoing challenges in protein engineering.
Protein Sci., 29, 2020
4ZK7
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BU of 4zk7 by Molmil
Crystal structure of rescued two-component self-assembling tetrahedral cage T33-31
分子名称: Chorismate mutase, Divalent-cation tolerance protein CutA
著者Liu, Y, Cascio, D, Sawaya, M.R, Bale, J, Collazo, M.J, Park, R, King, N, Baker, D, Yeates, T.
登録日2015-04-30
公開日2015-07-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure of a designed tetrahedral protein assembly variant engineered to have improved soluble expression.
Protein Sci., 24, 2015
5CY5
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BU of 5cy5 by Molmil
Crystal structure of the T33-51H designed self-assembling protein tetrahedron
分子名称: T33-51H-A, T33-51H-B
著者Cannon, K.A, Cascio, D, Park, R, Boyken, S, King, N, Yeates, T.O.
登録日2015-07-30
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Design and structure of two new protein cages illustrate successes and ongoing challenges in protein engineering.
Protein Sci., 29, 2020
8FBO
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BU of 8fbo by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
分子名称: KWOCA_102
著者Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
登録日2022-11-29
公開日2023-03-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBJ
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BU of 8fbj by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
分子名称: KWOCA_60
著者Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
登録日2022-11-29
公開日2023-03-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBN
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Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
分子名称: KWOCA_73
著者Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
登録日2022-11-29
公開日2023-03-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBI
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BU of 8fbi by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
分子名称: KWOCA_39
著者Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
登録日2022-11-29
公開日2023-03-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.61 Å)
主引用文献Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBK
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BU of 8fbk by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
分子名称: KWOCA_65
著者Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
登録日2022-11-29
公開日2023-03-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
3VCD
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BU of 3vcd by Molmil
Computationally Designed Self-assembling Octahedral Cage protein, O333, Crystallized in space group R32
分子名称: CHLORIDE ION, Propanediol utilization polyhedral body protein PduT, SULFATE ION
著者Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O.
登録日2012-01-03
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Computational design of self-assembling protein nanomaterials with atomic level accuracy.
Science, 336, 2012
5IM5
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BU of 5im5 by Molmil
Crystal structure of designed two-component self-assembling icosahedral cage I53-40
分子名称: Designed Keto-hydroxyglutarate-aldolase/keto-deoxy-phosphogluconate aldolase, Designed Riboflavin synthase
著者Liu, Y.A, Cascio, D, Sawaya, M.R, Bale, J.B, Collazo, M.J, Thomas, C, Sheffler, W, King, N.P, Baker, D, Yeates, T.O.
登録日2016-03-05
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.699 Å)
主引用文献Accurate design of megadalton-scale two-component icosahedral protein complexes.
Science, 353, 2016
5IM4
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BU of 5im4 by Molmil
Crystal structure of designed two-component self-assembling icosahedral cage I52-32
分子名称: 6,7-dimethyl-8-ribityllumazine synthase, Phosphotransferase system, mannose/fructose-specific component IIA
著者Liu, Y.A, Cascio, D, Sawaya, M.R, Bale, J.B, Collazo, M.J, Thomas, C, Sheffler, W, King, N.P, Baker, D, Yeates, T.O.
登録日2016-03-05
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Accurate design of megadalton-scale two-component icosahedral protein complexes.
Science, 353, 2016
5IM6
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BU of 5im6 by Molmil
Crystal structure of designed two-component self-assembling icosahedral cage I32-28
分子名称: Designed self-assembling icosahedral cage I32-28 dimeric subunit, Designed self-assembling icosahedral cage I32-28 trimeric subunit
著者Liu, Y.A, Cascio, D, Sawaya, M.R, Bale, J.B, Collazo, M.J, Thomas, C, Sheffler, W, King, N.P, Baker, D, Yeates, T.O.
登録日2016-03-05
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (5.588 Å)
主引用文献Accurate design of megadalton-scale two-component icosahedral protein complexes.
Science, 353, 2016

 

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